Dataset

nmrxiv-pt-succrose.c13

Bruker standard tube for water suppresion 2 mM Sucrose 0.5 mM DSS 2 mM NaN3 in H2O/D2O 90/10, 5 mm This dataset contains NMR spectra obtained for the sample -nmrxiv-pt-succrose date: 2024-01-01T22:21:28.000Z isFt: false name: nmrxiv-pt-succrose/1 phc0: 20.16592 phc1: 7.613534 type: NMR FID DECIM: 1600 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 0.00004000000000000001 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.0006 spectrumSize: 65536 baseFrequency: 600.14 digitalFilter: 76 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.8283754628522 numberOfPoints: 8 relaxationTime: 1 acquisitionTime: 0.0002800000000000001 frequencyOffset: 2820.6580000187387 originFrequency: 600.142820658 pulseStrength90: 21496.130696474633 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:21:28.000Z isFt: true name: nmrxiv-pt-succrose/1 phc0: 20.16592 phc1: 7.613534 type: NMR Spectrum DECIM: 1600 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 2.9754822089788857 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.0006 spectrumSize: 65536 baseFrequency: 600.14 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.8283754628522 numberOfPoints: 8 relaxationTime: 1 acquisitionTime: 0.0002800000000000001 frequencyOffset: 2820.6580000187387 originFrequency: 600.142820658 pulseStrength90: 21496.130696474633 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:17:26.000Z isFt: false name: nmrxiv-pt-succrose/11 phc0: 201.7238 phc1: 3.604726 type: NMR FID DECIM: 1600 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 0.00003999999999999999 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: null groupDelay: 76 temperature: 300.0006 spectrumSize: 131072 baseFrequency: 600.14 digitalFilter: 76 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: hos_t1rho_esgppe1d spectralWidth: 20.8283754627828 numberOfPoints: 13 relaxationTime: 4 acquisitionTime: 0.00047999999999999985 frequencyOffset: 2820.659999997588 originFrequency: 600.14282066 pulseStrength90: 21496.130696474633 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:17:26.000Z isFt: true name: nmrxiv-pt-succrose/11 phc0: 201.7238 phc1: 3.604726 type: NMR Spectrum DECIM: 1600 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 1.7356979552319 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: null groupDelay: 76 temperature: 300.0006 spectrumSize: 131072 baseFrequency: 600.14 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: hos_t1rho_esgppe1d spectralWidth: 20.8283754627828 numberOfPoints: 13 relaxationTime: 4 acquisitionTime: 0.00047999999999999985 frequencyOffset: 2820.659999997588 originFrequency: 600.14282066 pulseStrength90: 21496.130696474633 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:29:03.000Z isFt: false name: nmrxiv-pt-succrose/13 phc0: 33.18 phc1: -223.117 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0009 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 16 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0002099999999999996 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 13 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:29:03.000Z isFt: true name: nmrxiv-pt-succrose/13 phc0: 33.18 phc1: -223.117 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 15.776211612288199 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0009 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 16 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0002099999999999996 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 13 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:30:59.000Z isFt: false name: nmrxiv-pt-succrose/14 phc0: -12.10539 phc1: -223.117 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0005 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 32 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 14 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:30:59.000Z isFt: true name: nmrxiv-pt-succrose/14 phc0: -12.10539 phc1: -223.117 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 19.72026451536025 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0005 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 32 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 14 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:34:30.000Z isFt: false name: nmrxiv-pt-succrose/15 phc0: -20.24657 phc1: -223.117 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0016 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 64 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 15 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:34:30.000Z isFt: true name: nmrxiv-pt-succrose/15 phc0: -20.24657 phc1: -223.117 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 21.513015834938454 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0016 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 64 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 15 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:41:11.000Z isFt: false name: nmrxiv-pt-succrose/16 phc0: -167.812 phc1: 144.4757 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9982 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 128 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 16 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:41:11.000Z isFt: true name: nmrxiv-pt-succrose/16 phc0: -167.812 phc1: 144.4757 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 19.72026451536025 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9982 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 128 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 16 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:54:14.000Z isFt: false name: nmrxiv-pt-succrose/17 phc0: 39.26223 phc1: -223.4554 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0004 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 256 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 17 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:54:14.000Z isFt: true name: nmrxiv-pt-succrose/17 phc0: 39.26223 phc1: -223.4554 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 26.293686020480333 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0004 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 256 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 17 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T23:19:59.000Z isFt: false name: nmrxiv-pt-succrose/18 phc0: 16.92438 phc1: -178.5162 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9991 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 512 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 18 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T23:19:59.000Z isFt: true name: nmrxiv-pt-succrose/18 phc0: 16.92438 phc1: -178.5162 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 26.293686020480333 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9991 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 512 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 18 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T00:11:09.000Z isFt: false name: nmrxiv-pt-succrose/19 phc0: 76.57124 phc1: -271.1686 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 19 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T00:11:09.000Z isFt: true name: nmrxiv-pt-succrose/19 phc0: 76.57124 phc1: -271.1686 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 21.513015834938454 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 19 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T01:53:07.000Z isFt: false name: nmrxiv-pt-succrose/20 phc0: 37.00124 phc1: -231.0324 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.00011199999999999978 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 20 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T01:53:07.000Z isFt: true name: nmrxiv-pt-succrose/20 phc0: 37.00124 phc1: -231.0324 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 29.580396773040373 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.00011199999999999978 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 20 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T05:16:43.000Z isFt: false name: nmrxiv-pt-succrose/21 phc0: 30.72792 phc1: -217.6592 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9996 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 24 relaxationTime: 2 acquisitionTime: 0.00032199999999999937 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 21 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T05:16:43.000Z isFt: true name: nmrxiv-pt-succrose/21 phc0: 30.72792 phc1: -217.6592 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 10.288833660187956 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9996 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 24 relaxationTime: 2 acquisitionTime: 0.00032199999999999937 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 21 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Information

molecular Image
InChI InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
SMILES OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI Key CZMRCDWAGMRECN-UGDNZRGBSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p52.s275.d1618
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1618
Version
Author
Maintainer
Language english
MetadataPublished 2024-01-02 18:35:49
Related Molecule
  • (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : H2O+D2O

    acquisition nucleus : 13C

    NMR spectrum by dimensionality : 1

    NMR probe : Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT)

    Temperature : 299.9982 K

    magnetic field strength : 14.092242664321525 Tesla

    number of scans : 128 scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width : 236.643174184323

    number of data points : 13 points

    relaxation time measurement : 2 seconds

    Data-Source Molecule ID Data-Source
    C00089 KEGG Ligand
    CHEMBL253582 ChEMBL
    17992 ChEBI
    50108105 BindingDB
    SUCROSE rxnorm
    SUCROSE SYRUP rxnorm
    SUCROSE clinicaltrials
    HY-B1779 MedChemExpress
    SUCROSE DailyMed
    DTXSID2021288 EPA CompTox Dashboard
    4610 DrugCentral
    5411 Guide to Pharmacology
    J4.581K Nikkaji
    MELKIA CCDC
    MCULE-5933491732 Mcule
    SCHEMBL1005 SureChEMBL
    PA451525 PharmGKB
    HMDB0000258 Human Metabolome Database
    47829 Brenda
    124788 Brenda
    152650 Brenda
    MTBLC17992 Metabolights
    211271 Brenda
    15973 Brenda
    31914 Brenda
    20931 Brenda
    75951 Brenda
    55 Brenda
    ZINC000004217475 ZINC
    DB02772 DrugBank
    212424 Brenda
    sucrose DailyMed
    17992 Rhea
    CB4337508 ChemicalBook
    14778069 PubChem: Thomson Pharma
    5988 PubChem
    60018649 NMRShiftDB
    PD046201 ProbesDrugs
    C151H8M554 FDA SRS
    14851568 PubChem: Thomson Pharma
    sucr Recon
    100405-08-1 ACToR
    8027-47-2 ACToR
    25702-74-3 ACToR
    12040-73-2 ACToR
    sucrose Atlas
    29491181 eMolecules
    28206724 eMolecules
    484277 eMolecules
    31265981 eMolecules
    The data in this table is sourced from UniChem at EBI.